767339-01-5
4-BROMO-2-(2-(3-BROMOBENZOYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
Name4-BROMO-2-(2-(3-BROMOBENZOYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
1Identification
【Name】
4-BROMO-2-(2-(3-BROMOBENZOYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
【CAS】
【MDL】
MFCD05153283
【English Synonyms】
【Formula】
C21 H14 Br2 N2 O3
【MolWeight】
502.161
【Inchi】
InChI=1S/C21H14Br2N2O3/c22-17-8-4-7-15(11-17)20(26)25-24-13-16-12-18(23)9-10-19(16)28-21(27)14-5-2-1-3-6-14/h1-13H,(H,25,26)/b24-13+
【InChIKey】
InChIKey=MWHOHCDQXINQKG-ZMOGYAJESA-N
【SMILES】
c1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)c3cccc(c3)Br)Br
【MOL File】
4-BROMO-2-(2-(3-BROM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-(3-BROMOBENZOYL)CARBOHYDRAZONOYL)PHENYL BENZOATE.cml